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Author

J. Harry Moore

Observed names: J Harry Moore, Moore, J. Harry
Observed institutions: University of Cambridge, Bridge University, Angstrom Designs (United States), AstraZeneca (Sweden), Engineering Laboratory, Imperial College London
ORCID: 0000-0001-5116-3027
Observed ORCID: 0000-0001-5116-3027
OpenAlex ID: A5062167072
A foundation model for atomistic materials chemistry
2025 · Ilyes Batatia, Philipp Benner, et al. · The Journal of Chemical Physics · 615
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MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
2025 · Dávid Péter Kovács, J. Harry Moore, et al. · Journal of the American Chemical Society · 237
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MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules
2023 · Kovács, Dávid Péter, Moore, J. Harry, et al. · arXiv (Cornell University) · 62
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Automated relative binding free energy calculations from SMILES to ΔΔG
2023 · J. Harry Moore, Christian Margreitter, et al. · Communications Chemistry · 32
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Computing Solvation Free Energies of Small Molecules with Experimental Accuracy
2026 · J. Harry Moore, Daniel J. Cole, et al. · Journal of the American Chemical Society · 17
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Stereoselective Palladium‐Catalyzed C( sp 3 )−H Mono‐Arylation of Piperidines and Tetrahydropyrans with a C(4) Directing Group
2022 · Amalia‐Sofia Piticari, Daniele Antermite, et al. · Advanced Synthesis & Catalysis · 14
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Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules
2022 · J Harry Moore, Matthias R Bauer, et al. · Bioinformatics · 12
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DFT Accuracy on Crystal Structure Prediction with Machine Learning Interatomic Potentials
2026 · Midgley, Laurence I., Lin, Chen, et al. · arXiv (Cornell University)
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Stereoselective Palladium-Catalyzed C(sp3)–H Mono-Arylation of Piperidines and Tetrahydropyrans with a C(4) Directing Group
2021 · Amalia-Sofia Piticari, Daniele Antermite, et al.
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Works count: 11
Citation count: 989
H-index: 7
I10-index: 7
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